(5S)-5-fluoro-N-[[2-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methyl-6,8-dihydropyrano[3,4-b]pyridine-3-carboxamide

C26H24FN5O3 — CID 168723466

IUPAC(5S)-5-fluoro-N-[[2-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methyl-6,8-dihydropyrano[3,4-b]pyridine-3-carboxamide
SMILESC[C@@H](O)c1cccc(-c2ccc3cnc(CNC(=O)c4cnc5c(c4)[C@](C)(F)COC5)cc3n2)n1
InChIInChI=1S/C26H24FN5O3/c1-15(33)20-4-3-5-21(31-20)22-7-6-16-10-28-18(9-23(16)32-22)12-30-25(34)17-8-19-24(29-11-17)13-35-14-26(19,2)27/h3-11,15,33H,12-14H2,1-2H3,(H,30,34)/t15-,26-/m1/s1
InChIKeyATEXLTVDXVRTEF-PVPMGCCUSA-N
MW473.51 g/mol
LogP3.79
Rot. Bonds5

About (5S)-5-fluoro-N-[[2-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methyl-6,8-dihydropyrano[3,4-b]pyridine-3-carboxamide

(5S)-5-fluoro-N-[[2-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methyl-6,8-dihydropyrano[3,4-b]pyridine-3-carboxamide (PubChem CID 168723466) has the molecular formula C26H24FN5O3 and a molecular weight of 473.51 g/mol. Its IUPAC name is (5S)-5-fluoro-N-[[2-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methyl-6,8-dihydropyrano[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name(5S)-5-fluoro-N-[[2-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methyl-6,8-dihydropyrano[3,4-b]pyridine-3-carboxamide
PubChem CID168723466
Molecular FormulaC26H24FN5O3
Molecular Weight473.51 g/mol
Exact Mass473.19
IUPAC Name(5S)-5-fluoro-N-[[2-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methyl-6,8-dihydropyrano[3,4-b]pyridine-3-carboxamide
SMILESC[C@@H](O)c1cccc(-c2ccc3cnc(CNC(=O)c4cnc5c(c4)[C@](C)(F)COC5)cc3n2)n1
InChIInChI=1S/C26H24FN5O3/c1-15(33)20-4-3-5-21(31-20)22-7-6-16-10-28-18(9-23(16)32-22)12-30-25(34)17-8-19-24(29-11-17)13-35-14-26(19,2)27/h3-11,15,33H,12-14H2,1-2H3,(H,30,34)/t15-,26-/m1/s1
InChIKeyATEXLTVDXVRTEF-PVPMGCCUSA-N
XLogP3.79
TPSA110.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (5S)-5-fluoro-N-[[2-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methyl-6,8-dihydropyrano[3,4-b]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-fluoro-N-[[2-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methyl-6,8-dihydropyrano[3,4-b]pyridine-3-carboxamide?
The IUPAC name of (5S)-5-fluoro-N-[[2-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methyl-6,8-dihydropyrano[3,4-b]pyridine-3-carboxamide (CID 168723466) is (5S)-5-fluoro-N-[[2-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methyl-6,8-dihydropyrano[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for (5S)-5-fluoro-N-[[2-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methyl-6,8-dihydropyrano[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for (5S)-5-fluoro-N-[[2-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methyl-6,8-dihydropyrano[3,4-b]pyridine-3-carboxamide is C[C@@H](O)c1cccc(-c2ccc3cnc(CNC(=O)c4cnc5c(c4)[C@](C)(F)COC5)cc3n2)n1.
What is the InChIKey of (5S)-5-fluoro-N-[[2-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methyl-6,8-dihydropyrano[3,4-b]pyridine-3-carboxamide?
The InChIKey is ATEXLTVDXVRTEF-PVPMGCCUSA-N. The full InChI is InChI=1S/C26H24FN5O3/c1-15(33)20-4-3-5-21(31-20)22-7-6-16-10-28-18(9-23(16)32-22)12-30-25(34)17-8-19-24(29-11-17)13-35-14-26(19,2)27/h3-11,15,33H,12-14H2,1-2H3,(H,30,34)/t15-,26-/m1/s1.
What are the key properties of (5S)-5-fluoro-N-[[2-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methyl-6,8-dihydropyrano[3,4-b]pyridine-3-carboxamide?
(5S)-5-fluoro-N-[[2-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methyl-6,8-dihydropyrano[3,4-b]pyridine-3-carboxamide has a molecular weight of 473.51 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-fluoro-N-[[2-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methyl-6,8-dihydropyrano[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 168723466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).